Mg2ZnH8S
Alexandria ALEXAlex-ID: agm007264148 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2010_spg2
ZnH2 MgH6 MgS
2024-02-08 21:06:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007264148).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007264148
data_agm007264148
_cell_length_a 3.39138
_cell_length_b 6.25235
_cell_length_c 7.16497
_cell_angle_alpha 106.65719
_cell_angle_beta 102.31179
_cell_angle_gamma 74.64713
_cell_volume 138.79759
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 Mg 0.16777 0.72158 0.56344 1.00000
Mg2 Mg 0.83223 0.27842 0.43656 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
H1 H 0.06213 0.33880 0.93517 1.00000
H2 H 0.86633 0.73095 0.16212 1.00000
H3 H 0.30868 0.83028 0.86575 1.00000
H4 H 0.93787 0.66120 0.06483 1.00000
H5 H 0.13367 0.26905 0.83788 1.00000
H6 H 0.69132 0.16972 0.13425 1.00000
H7 H 0.21816 0.43944 0.36182 1.00000
H8 H 0.78184 0.56056 0.63818 1.00000
S1 S 0.50000 0.00000 0.50000 1.00000
Get direct link